Geometry & MOs

Info

ID:	146537
PubChem CID:	53702133
Reduced:	SO6N16C73H114 (1)
Stoich.:	AB6C16D73E114 (1)
Weight, g/mol:	217.040879
ΔH_f, kcal/mol:	-29.89
Dipole, Da:	2.75
IP(EA), eV:	-8.16(-1.9)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

2-(2-aminophenoxy)ethanesulfonic acid

Drug info:

Smile

CCCCCCCCCCCCCCCCS(=O)(=O)NC1=CC=C(C=C1)C2=NN(C3=C(C(=NN32)C)CC)C.CCCCCCCCCCCCOC(=O)C1=C2N(N=C(N2N=C1C)CC)C.CCC1=C2N(C(=NN2N=C1C)C3=CC=C(C=C3)[N+](=O)[O-])C.CCC1=C(N(C(=N1)C)C)C

DOS

IR

Vibrations